Detailed information for compound 755710

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.371 | Formula: C16H24F2N2O
  • H donors: 1 H acceptors: 1 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1C(C)C)Cc1cc(F)cc(c1)F
  • InChi: 1S/C16H24F2N2O/c1-12(2)20-5-4-19(11-16(20)3-6-21)10-13-7-14(17)9-15(18)8-13/h7-9,12,16,21H,3-6,10-11H2,1-2H3
  • InChiKey: VRTFKWZXHXTMBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0397 0.5501 0.6635
Echinococcus granulosus FTZ F1 alpha 0.0074 0.0591 0.0591
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.0591 0.0628
Loa Loa (eye worm) hypothetical protein 0.0397 0.5501 0.6635
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0039 0.0063 0.0063
Echinococcus multilocularis caspase 2 0.013 0.1439 0.1529
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0074 0.0591 0.0712
Schistosoma mansoni nuclear hormone receptor 0.0074 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0074 0.0591 0.0712
Schistosoma mansoni coup transcription factor 0.0074 0.0591 0.0591
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0029 0.5
Onchocerca volvulus 0.0074 0.0591 0.0665
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0074 0.0591 0.0628
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.0591 0.0591
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0063 0.0063
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0055 0.0307 0.0307
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.0591 0.0712
Echinococcus granulosus apoptotic protease activating factor 1 0.013 0.1439 0.1439
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0581 0.8291 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0074 0.0591 0.0628
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0029 0.0029
Brugia malayi nuclear hormone receptor 0.0581 0.8291 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1224 0.1476
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.0591 0.0628
Brugia malayi hypothetical protein 0.013 0.1439 0.1736
Schistosoma mansoni thyroid hormone receptor 0.0074 0.0591 0.0591
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712
Onchocerca volvulus 0.0397 0.5501 0.6193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0074 0.0591 0.0712
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0074 0.0591 0.0712
Brugia malayi Inositol-1 0.0037 0.0029 0.0035
Echinococcus granulosus ecdysone induced protein 78C 0.0074 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0039 0.0063 0.0076
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0267 0.3527 0.8738
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0029 0.5
Brugia malayi MH2 domain containing protein 0.0115 0.1224 0.1476
Echinococcus multilocularis ecdysone induced protein 78C 0.0074 0.0591 0.0628
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.0546 0.7763 0.9364
Schistosoma mansoni inositol monophosphatase 0.0037 0.0029 0.0029
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0039 0.0063 0.0067
Schistosoma mansoni retinoic acid receptor RXR 0.0693 1 1
Brugia malayi Cell death protein 3 precursor 0.013 0.1439 0.1736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0074 0.0591 0.0712
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0029 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0063 0.0422 0.0422
Onchocerca volvulus Deterin homolog 0.0397 0.5501 0.6193
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0055 0.0307 0.037
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0055 0.0307 0.0326
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0074 0.0591 0.0591
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0074 0.0591 0.0591
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712
Schistosoma mansoni inhibitor of apoptosis protein 0.0397 0.5501 0.5501
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0039 0.0063 0.0063
Onchocerca volvulus Bile acid receptor homolog 0.0074 0.0591 0.0665
Echinococcus multilocularis FTZ F1 alpha 0.0074 0.0591 0.0628
Loa Loa (eye worm) hypothetical protein 0.0039 0.0063 0.0076
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0397 0.5501 0.5846
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0397 0.5501 0.5501
Brugia malayi hypothetical protein 0.0039 0.0063 0.0076
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0267 0.3527 0.8738
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.062 0.8881 1
Schistosoma mansoni hypothetical protein 0.013 0.1439 0.1439
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0397 0.5501 0.5501
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0074 0.0591 0.0628
Loa Loa (eye worm) hypothetical protein 0.0397 0.5501 0.6635
Schistosoma mansoni steroid hormone receptor ad4bp 0.0074 0.0591 0.0591
Brugia malayi steroid hormone receptor 0.0074 0.0591 0.0712
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0063 0.0422 0.0422
Brugia malayi Steroid receptor seven-up type 2 0.0074 0.0591 0.0712
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0029 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.0591 0.0712
Mycobacterium ulcerans short chain dehydrogenase 0.03 0.4032 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.013 0.1439 0.1529
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0029 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0074 0.0591 0.0591
Schistosoma mansoni inositol monophosphatase 0.0037 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0039 0.0063 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.0591 0.0712
Schistosoma mansoni caspase-7 (C14 family) 0.013 0.1439 0.1439
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0029 0.5
Schistosoma mansoni thyroid hormone receptor 0.0074 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.013 0.1439 0.1736
Echinococcus multilocularis inhibitor of apoptosis protein 0.0397 0.5501 0.5846
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0074 0.0591 0.0712
Brugia malayi nuclear hormone receptor 0.0074 0.0591 0.0712
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0029 0.5
Onchocerca volvulus 0.013 0.1439 0.162
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0063 0.0422 0.0449
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0074 0.0591 0.0591
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0055 0.0307 0.037
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.0063 0.0422 0.0509
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0074 0.0591 0.0712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0074 0.0591 0.0712
Schistosoma mansoni hypothetical protein 0.0397 0.5501 0.5501
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0654 0.9409 1
Brugia malayi nuclear receptor NHR-88 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.013 0.1439 0.1736
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0422 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0063 0.0422 0.0422
Onchocerca volvulus Protein ultraspiracle homolog 0.0074 0.0591 0.0665
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0039 0.0063 0.0076
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0074 0.0591 0.0591
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0063 0.0422 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0074 0.0591 0.0628
Schistosoma mansoni RAR-like nuclear receptor 0.0074 0.0591 0.0591
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0074 0.0591 0.0591
Echinococcus granulosus inhibitor of apoptosis protein 0.0397 0.5501 0.5501
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0074 0.0591 0.0591
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0074 0.0591 0.0628
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0074 0.0591 0.0591
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0074 0.0591 0.0591
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0074 0.0591 0.0712
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0063 0.0076
Brugia malayi hypothetical protein 0.0039 0.0063 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0074 0.0591 0.0712
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0063 0.0422 0.0449
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1224 0.1476
Loa Loa (eye worm) hypothetical protein 0.0039 0.0063 0.0076
Loa Loa (eye worm) steroid hormone receptor 0.0074 0.0591 0.0712
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0063 0.0076
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.0591 0.0712
Echinococcus granulosus caspase 2 0.013 0.1439 0.1439
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0029 0.0031
Loa Loa (eye worm) hypothetical protein 0.0039 0.0063 0.0076
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0074 0.0591 0.0591
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0074 0.0591 0.0712
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0397 0.5501 0.6635
Brugia malayi nuclear receptor RXR 0.0039 0.0063 0.0076
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712
Brugia malayi ecdysteroid receptor 0.0074 0.0591 0.0712
Brugia malayi photoreceptor-specific nuclear receptor 0.0074 0.0591 0.0712
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712
Onchocerca volvulus Cell death protein 3 homolog 0.013 0.1439 0.162
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.0591 0.0712
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0029 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0029 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.0591 0.0591
Mycobacterium tuberculosis Probable oxidoreductase 0.03 0.4032 1
Loa Loa (eye worm) inositol-1 0.0037 0.0029 0.0035
Loa Loa (eye worm) hypothetical protein 0.0074 0.0591 0.0712

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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